N-(2-cyano-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)acetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)acetamide Formula: C17H13N3O5S MolecularWeight: 371.36722

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H13N3O5S/c18-9-11-7-12(20(22)23)1-3-14(11)19-17(21)10-26-13-2-4-15-16(8-13)25-6-5-24-15/h1-4,7-8H,5-6,10H2,(H,19,21)